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87414-34-4 | Carbonocyanidic acid, trifluoromethyl ester
CAS No: 87414-34-4 Catalog No: AG004N5C MDL No:
Product Description
Catalog Number:
AG004N5C
Chemical Name:
Carbonocyanidic acid, trifluoromethyl ester
CAS Number:
87414-34-4
Molecular Formula:
C3F3NO2
Molecular Weight:
139.0328
IUPAC Name:
trifluoromethyl cyanoformate
InChI:
InChI=1S/C3F3NO2/c4-3(5,6)9-2(8)1-7
InChI Key:
PVBNSGRNXDMWMT-UHFFFAOYSA-N
SMILES:
N#CC(=O)OC(F)(F)F
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.988g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.033g/mol
Monoisotopic Mass:
138.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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